First principles investigation of physically conductive bridge filament formation of aluminum doped perovskite materials for neuromorphic memristive applications

2021 ◽  
Vol 150 ◽  
pp. 111111
Author(s):  
Turki Alsuwian ◽  
Farhana Kousar ◽  
Umbreen Rasheed ◽  
Muhammad Imran ◽  
Fayyaz Hussain ◽  
...  
Keyword(s):  
First Principles ◽  
Filament Formation ◽  
Perovskite Materials ◽  
Conductive Bridge

Superior Retention of Low-Resistance State in Conductive Bridge Random Access Memory With Single Filament Formation

2015 ◽  
Vol 36 (2) ◽  
pp. 129-131 ◽  
Author(s):  
Xiaoxin Xu ◽  
Hangbing Lv ◽  
Hongtao Liu ◽  
Tiancheng Gong ◽  
Guoming Wang ◽  
...  
Keyword(s):  
Random Access ◽  
Random Access Memory ◽  
Filament Formation ◽  
Access Memory ◽  
Single Filament ◽  
Low Resistance ◽  
Conductive Bridge ◽  
Resistance State

Halide perovskite materials for solar cells: a theoretical review

2015 ◽  
Vol 3 (17) ◽  
pp. 8926-8942 ◽  
Author(s):  
Wan-Jian Yin ◽  
Ji-Hui Yang ◽  
Joongoo Kang ◽  
Yanfa Yan ◽  
Su-Huai Wei
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Perovskite Solar Cells ◽  
First Principles Calculations ◽  
Perovskite Materials ◽  
Halide Perovskite

First-principles calculations help to understand the fundamental mechanisms of the emerging perovskite solar cells and guide further developments.

The effect of moisture on the structures and properties of lead halide perovskites: a first-principles theoretical investigation

2016 ◽  
Vol 18 (33) ◽  
pp. 23174-23183 ◽  
Author(s):  
Lei Zhang ◽  
Ming-Gang Ju ◽  
WanZhen Liang
Keyword(s):  
Theoretical Investigation ◽  
First Principles ◽  
Degradation Mechanism ◽  
Perovskite Materials ◽  
Structures And Properties ◽  
Halide Perovskites ◽  
Effect Of Moisture ◽  
Lead Halide

The degradation mechanism of perovskite materials when exposed to moisture and sunlight has been fully explored.

First-principles study of electronic, optical and thermoelectric properties in cubic perovskite materials AgMO3 (M = V, Nb, Ta)

2014 ◽  
Vol 28 (10) ◽  
pp. 1450077 ◽  
Author(s):  
Asif Mahmood ◽  
Shahid M. Ramay ◽  
Hafiz Muhammad Rafique ◽  
Yousef Al-Zaghayer ◽  
Salah Ud-Din Khan
Keyword(s):  
Thermoelectric Properties ◽  
First Principles ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Structural Parameters ◽  
Full Potential ◽  
Electronic Band ◽  
Functional Theory ◽  
Perovskite Materials ◽  
Linearized Augmented Plane Wave

In this paper, first-principles calculations of structural, electronic, optical and thermoelectric properties of AgMO 3 ( M = V , Nb and Ta ) have been carried out using full potential linearized augmented plane wave plus local orbitals method ( FP - LAPW + lo ) and BoltzTraP code within the framework of density functional theory (DFT). The calculated structural parameters are found to agree well with the experimental data, while the electronic band structure indicates that AgNbO 3 and AgTaO 3 are semiconductors with indirect bandgaps of 1.60 eV and 1.64 eV, respectively, between the occupied O 2p and unoccupied d states of Nb and Ta . On the other hand, AgVO 3 is found metallic due to the overlapping behavior of states across the Fermi level. Furthermore, optical properties, such as dielectric function, absorption coefficient, optical reflectivity, refractive index and extinction coefficient of AgNbO 3 and AgTaO 3, are calculated for incident photon energy up to 50 eV. Finally, we calculate thermo power for AgNbO 3 and AgTaO 3 at fixed doping 1019 cm-3. Electron doped thermo power of AgNbO 3 shows significant increase over AgTaO 3 with temperature.

Enhancing the stability of perovskites by constructing heterojunctions of graphene/MASnI3

2020 ◽  
Vol 22 (6) ◽  
pp. 3724-3733 ◽  
Author(s):  
Zhihua Hu ◽  
Yanli Zeng ◽  
Xiaoyan Li ◽  
Lingpeng Meng
Keyword(s):  
Electronic Structure ◽  
Graphene Sheet ◽  
First Principles ◽  
Effective Strategy ◽  
First Principles Calculations ◽  
Perovskite Materials ◽  
The Stability

First-principles calculations show that coating a graphene sheet on the MASnI3 surface has no obvious influence on the electronic structure of the surface, but it is an effective strategy of enhancing the stability of the perovskite materials.

scholarly journals Screening of perovskite materials for solar cell applications by first-principles calculations

2021 ◽  
Vol 198 ◽  
pp. 109387
Author(s):  
Wenhua Pu ◽  
Wei Xiao ◽  
Jianwei Wang ◽  
Xiaowu Li ◽  
Ligen Wang
Keyword(s):  
Solar Cell ◽  
First Principles ◽  
First Principles Calculations ◽  
Perovskite Materials
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